Journal ArticleDOI
CRYSOL : a program to evaluate X-ray solution scattering of biological macromolecules from atomic coordinates
TLDR
In this paper, a program for evaluating the solution scattering from macromolecules with known atomic structure is presented, which uses multipole expansion for fast calculation of the spherically averaged scattering pattern and takes into account the hydration shell.Abstract:
A program for evaluating the solution scattering from macromolecules with known atomic structure is presented. The program uses multipole expansion for fast calculation of the spherically averaged scattering pattern and takes into account the hydration shell. Given the atomic coordinates (e.g. from the Brookhaven Protein Data Bank) it can either predict the solution scattering curve or fit the experimental scattering curve using only two free parameters, the average displaced solvent volume per atomic group and the contrast of the hydration layer. The program runs on IBM PCs and on the major UNIX platforms.read more
Citations
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Journal ArticleDOI
Resolution of ab initio shapes determined from small-angle scattering.
TL;DR: A quantitative resolution measure of the ab initio shapes restored from small-angle scattering data is introduced based on the variability of multiple reconstructions and its efficiency has been demonstrated in applications to experimental data.
Bacterial killing via a type IV secretion system
Diorge P. Souza,Gabriel Umaji Oka,Cristina E. Alvarez-Martinez,Alexandre W. Bisson-Filho,German Dunger,Lise Hobeika,Nayara S. Cavalcante,Marcos C. Alegria,Roberto Kopke Salinas,Cristiane R. Guzzo,Chuck S. Farah +10 more
TL;DR: In this paper, the authors show that the Xanthomonas citri T4SS provides these cells the capacity to kill other Gram-negativebacterial species in a contact-dependent manner.
Journal ArticleDOI
Dissecting structure-function-stability relationships of a thermostable GH5-CBM3 cellulase from Bacillus subtilis 168.
Camila R. Santos,Joice Helena Paiva,Maurício L. Sforça,Jorge L. Neves,Rodrigo Z. Navarro,Junio Cota,Patrícia K. Akao,Zaira B. Hoffmam,Andreia N. Meza,Juliana Helena Costa Smetana,Maria Luiza C. Nogueira,Igor Polikarpov,José Xavier-Neto,Fabio M. Squina,Richard J. Ward,Roberto Ruller,A.C.M. Zeri,Mário T. Murakami +17 more
TL;DR: Functional and structural characterization of the thermostable BsCel5A (Bacillus subtilis cellulase 5A) revealed that the Bacillus CBM3 represents a new subfamily, which lacks the classical calcium-binding motif, and variations in NMR frequencies in the presence of cellopentaose showed the importance of polar residues in the carbohydrate interaction.
Journal ArticleDOI
Macromolecular docking restrained by a small angle X-ray scattering profile
TL;DR: This work presents an efficient method for protein-protein docking with a SAXS profile (FoXSDock), generation of complex models by rigid global docking with PatchDock, filtering of the models based on the SAxS profile, clustering of the Models, and refining the interface by flexible docking with FireDock.
Journal ArticleDOI
Dengue Virus Nonstructural Protein 5 (NS5) Assembles into a Dimer with a Unique Methyltransferase and Polymerase Interface.
Valerie J. Klema,Mengyi Ye,Aditya Hindupur,Tadahisa Teramoto,Keerthi Gottipati,Radhakrishnan Padmanabhan,Kyung H. Choi +6 more
TL;DR: The X-ray structure of NS5 presented here suggests thatMTase and RdRp activities could be coordinated as a dimer during viral genome replication, providing evidence that flavivirus NS5 can adopt multiple conformations while preserving necessary interactions between the MTase and RoadRp domains.
References
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Book
International tables for X-ray crystallography
Norman Fordyce McKerron Henry,Lonsdale, Kathleen, Dame,John S. Kasper,Caroline H. MacGillavry,Gerard D. Rieck,James A. Ibers,Walter C. Hamilton +6 more
Angular Momentum in Quantum Mechanics
TL;DR: In this paper, the angular momentum, one of the most fundamental quantities in all of quantum mechanics, is introduced and a concise introduction to its application in atomic, molecular, and nuclear physics is provided.
Book
Angular Momentum in Quantum Mechanics
TL;DR: In this article, the angular momentum, one of the most fundamental quantities in all of quantum mechanics, is introduced and a concise introduction to its application in atomic, molecular, and nuclear physics is provided.